3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide

C21H27FN2O2 — CID 120610892

IUPAC3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C21H27FN2O2/c1-15(2)13-24(14-20(25)17-7-10-18(22)11-8-17)21(26)12-9-16-5-3-4-6-19(16)23/h3-8,10-11,15,20,25H,9,12-14,23H2,1-2H3
InChIKeyPMLVEHVBUYNRIV-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.56
Rot. Bonds8

About 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide

3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide (PubChem CID 120610892) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
PubChem CID120610892
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C21H27FN2O2/c1-15(2)13-24(14-20(25)17-7-10-18(22)11-8-17)21(26)12-9-16-5-3-4-6-19(16)23/h3-8,10-11,15,20,25H,9,12-14,23H2,1-2H3
InChIKeyPMLVEHVBUYNRIV-UHFFFAOYSA-N
XLogP3.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
CID 120562857
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 97082451
3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
3-(2-aminophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]propanamide;dihydrochloride
CID 120612427
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide (CID 120610892) is 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide is CC(C)CN(CC(O)c1ccc(F)cc1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide?
The InChIKey is PMLVEHVBUYNRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-15(2)13-24(14-20(25)17-7-10-18(22)11-8-17)21(26)12-9-16-5-3-4-6-19(16)23/h3-8,10-11,15,20,25H,9,12-14,23H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide?
3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 120610892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).